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/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/other/
H A Dmkdcd_f77.f16 common/real_variables/ xprd, yprd, zprd, box(2,3), local
45 common/real_variables/ xprd, yprd, zprd, box(2,3), local
89 zprd = box(2,3) - box(1,3)
120 common/real_variables/ xprd, yprd, zprd, box(2,3), local
144 xtlabc(6) = zprd
164 common/real_variables/ xprd, yprd, zprd, box(2,3), local
218 common/real_variables/ xprd, yprd, zprd, box(2,3), local
242 zprd = box(2,3) - box(1,3)
252 x(3,i) = buf(5)*zprd + box(1,3)
270 common/real_variables/ xprd, yprd, zprd, box(2,3), local
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H A Dmkdcd.f12 real*8 xprd,yprd,zprd,box(2,3) variable
101 zprd = box(2,3) - box(1,3)
146 xtlabc(6) = zprd
232 zprd = box(2,3) - box(1,3)
239 x(3,itag) = buf(5)*zprd + box(1,3)
316 x(3,i) = x(3,i) - zprd*(nint(x(3,i)/zprd))
H A Dmkpdb.f12 real*8 xprd,yprd,zprd,box(2,3) variable
149 shiftz = shiftz + (x(3,i) + mytrue(3,i)*zprd)*mass(type(i))
180 1 (x(3,i) + mytrue(3,i)*zprd)*mass(type(i))
195 nboxz(i) = nint(comz(i)/zprd)
204 zz = x(3,i) + (mytrue(3,i) - nboxz(imolecule))*zprd
269 zprd = box(2,3) - box(1,3)
277 x(3,itag) = buf(5)*zprd + box(1,3)
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Datom_vec_kokkos.cpp74 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackComm()
121 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
126 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
133 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
197 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommSelf()
323 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommSelfFused()
471 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommVel()
729 dz = pbc[2]*domain->zprd; in pack_comm()
733 dz = pbc[2]*domain->zprd; in pack_comm()
768 dz = pbc[2]*domain->zprd; in pack_comm_vel()
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H A Dfix_minimize_kokkos.cpp106 auto zprd = domain->zprd; in reset_coords() local
138 if (dz < 0.0) dz += zprd; in reset_coords()
139 else dz -= zprd; in reset_coords()
147 dz += zprd; in reset_coords()
151 dz -= zprd; in reset_coords()
H A Datom_vec_sphere_kokkos.cpp1059 dz = pbc[2]*domain->zprd; in pack_comm()
1063 dz = pbc[2]*domain->zprd; in pack_comm()
1088 dz = pbc[2]*domain->zprd; in pack_comm()
1092 dz = pbc[2]*domain->zprd; in pack_comm()
1136 dz = pbc[2]*domain->zprd; in pack_comm_vel()
1140 dz = pbc[2]*domain->zprd; in pack_comm_vel()
1201 dz = pbc[2]*domain->zprd; in pack_comm_vel()
1500 dz = pbc[2]*domain->zprd; in pack_border_kokkos()
1570 dz = pbc[2]*domain->zprd; in pack_border()
1694 dz = pbc[2]*domain->zprd; in pack_border_vel_kokkos()
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H A Datom_vec_angle_kokkos.cpp242 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecAngleKokkos_PackComm()
290 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
295 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
366 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecAngleKokkos_PackCommSelf()
529 dz = pbc[2]*domain->zprd; in pack_comm()
533 dz = pbc[2]*domain->zprd; in pack_comm()
568 dz = pbc[2]*domain->zprd; in pack_comm_vel()
572 dz = pbc[2]*domain->zprd; in pack_comm_vel()
740 dz = pbc[2]*domain->zprd; in pack_border_kokkos()
799 dz = pbc[2]*domain->zprd; in pack_border()
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/dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/
H A Dcompute_event_displace.cpp104 double zprd = domain->zprd; in compute_scalar() local
116 dz = x[i][2] + zbox*zprd - xevent[i][2]; in compute_scalar()
166 double zprd = domain->zprd; in all_events() local
178 dz = x[i][2] + zbox*zprd - xevent[i][2]; in all_events()
/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-SMOOTH/
H A Dfix_rigid_meso.cpp263 double zprd = domain->zprd; in set_xv() local
292 x2 = x[i][2] + zbox*zprd; in set_xv()
296 x2 = x[i][2] + zbox*zprd; in set_xv()
329 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
333 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
393 double zprd = domain->zprd; in set_v() local
449 x2 = x[i][2] + zbox*zprd; in set_v()
453 x2 = x[i][2] + zbox*zprd; in set_v()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddomain.cpp107 zprd(0.0), in Domain()
293 h[2] = zprd; in set_global_box()
798 else dz -= zprd; in minimum_image()
806 dz += zprd; in minimum_image()
810 dz -= zprd; in minimum_image()
868 delta[2] += zprd; in minimum_image()
977 dz += zprd; in closest_image()
982 dz -= zprd; in closest_image()
988 dz -= zprd; in closest_image()
993 dz += zprd; in closest_image()
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H A Dcompute_displace_atom.cpp163 double zprd = domain->zprd; in compute_peratom() local
176 dz = x[i][2] + zbox*zprd - xoriginal[i][2]; in compute_peratom()
H A Dcompute_msd.cpp192 double zprd = domain->zprd; in compute_vector() local
208 dz = x[i][2] + zbox*zprd - cm[2] - xoriginal[i][2]; in compute_vector()
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Ddomain.cpp263 h[2] = zprd; in set_global_box()
1000 else dz -= zprd; in minimum_image()
1008 dz += zprd; in minimum_image()
1012 dz -= zprd; in minimum_image()
1077 delta[2] += zprd; in minimum_image()
1081 delta[2] -= zprd; in minimum_image()
1285 dz += zprd; in closest_image()
1290 dz -= zprd; in closest_image()
1296 dz -= zprd; in closest_image()
1301 dz += zprd; in closest_image()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Dpppm_dielectric.cpp311 double zprd = prd[2]; in fieldforce_ad() local
315 double hz_inv = nz_pppm/zprd; in fieldforce_ad()
412 double zprd = domain->zprd; in slabcorr() local
442 qsum*dipole_r2 - qsum*qsum*zprd*zprd/12.0)/volume; in slabcorr()
453 qsum*x[i][2]*x[i][2]) - qsum*zprd*zprd/12.0); in slabcorr()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-COMPUTE/
H A Dcompute_msd_nongauss.cpp64 double zprd = domain->zprd; in compute_vector() local
80 dz = x[i][2] + zbox*zprd - cm[2] - xoriginal[i][2]; in compute_vector()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-DUMP/
H A Ddump_dcd.cpp169 dim[5] = domain->zprd; in write_header()
198 double zprd = domain->zprd; in pack() local
212 buf[m++] = x[i][2] + iz * zprd; in pack()
216 buf[m++] = x[i][2] + iz * zprd; in pack()
/dports/science/lammps/lammps-stable_29Sep2021/tools/
H A Dchain.f9011 REAL(KIND=8) :: xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,zboundlo,zboundhi variable
24 IF (z < zboundlo) z = z + zprd
25 IF (z >= zboundhi) z = z - zprd
115 zprd = xprd
141 z2 = zboundlo + random(iseed)*zprd
/dports/science/lammps/lammps-stable_29Sep2021/src/POEMS/
H A Dfix_poems.cpp410 double zprd = domain->zprd; in init() local
463 dz = x[i][2] + zbox*zprd - xcm[ibody][2]; in init()
558 dz = x[i][2] + zbox*zprd - xcm[ibody][2]; in init()
591 dz = x[i][2] + zbox*zprd - xcm[ibody][2]; in init()
646 double zprd = domain->zprd; in setup() local
767 double zprd = domain->zprd; in compute_forces_and_torques() local
1332 double zprd = domain->zprd; in set_xv() local
1350 x2 = x[i][2] + zbox*zprd; in set_xv()
1382 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
1431 double zprd = domain->zprd; in set_v() local
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/POEMS/
H A Dfix_poems.cpp536 double zprd = domain->zprd; in init() local
599 dz = x[i][2] + zbox*zprd - xcm[isegment][2]; in init()
711 dz = x[i][2] + zbox*zprd - xcm[isegment][2]; in init()
744 dz = x[i][2] + zbox*zprd - xcm[isegment][2]; in init()
825 double zprd = domain->zprd; in setup() local
975 double zprd = domain->zprd; in post_force() local
1601 double zprd = domain->zprd; in set_xv() local
1619 x2 = x[i][2] + zbox*zprd; in set_xv()
1653 x[i][2] += xcm[isegment][2] - zbox*zprd; in set_xv()
1710 double zprd = domain->zprd; in set_v() local
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/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/
H A Ddomain_kokkos.h83 xnew[2] += zprd; in collide_kokkos()
87 xnew[2] -= zprd; in collide_kokkos()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpppm_cg.cpp446 double zprd = prd[2]; in fieldforce_ad() local
450 double hz_inv = nz_pppm/zprd; in fieldforce_ad()
598 const double zprd = domain->zprd; in slabcorr() local
632 qsum*dipole_r2 - qsum*qsum*zprd*zprd/12.0)/volume; in slabcorr()
644 qsum*x[i][2]*x[i][2]) - qsum*zprd*zprd/12.0); in slabcorr()
H A Dpppm.cpp402 double zprd = prd[2]; in setup() local
487 double zprd = prd[2]; in setup_triclinic() local
955 double zprd = domain->zprd; in set_grid_global() local
1113 double zprd = domain->zprd; in compute_df_kspace() local
1261 double zprd = domain->zprd; in newton_raphson_f() local
1300 double zprd = domain->zprd; in final_accuracy() local
2922 double zprd = domain->zprd; in slabcorr() local
2951 qsum*dipole_r2 - qsum*qsum*zprd*zprd/12.0)/volume; in slabcorr()
2962 qsum*x[i][2]*x[i][2]) - qsum*zprd*zprd/12.0); in slabcorr()
3438 double zprd = domain->zprd; in slabcorr_groups() local
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H A Dewald.cpp151 double zprd = domain->zprd; in init() local
152 double zprd_slab = zprd*slab_volfactor; in init()
164 g_ewald = accuracy*sqrt(natoms*cutoff*xprd*yprd*zprd) / (2.0*q2); in init()
210 double zprd = domain->zprd; in setup() local
215 double zprd_slab = zprd*slab_volfactor; in setup()
273 tmp[2] = kzmax/zprd; in setup()
1174 double zprd = domain->zprd; in slabcorr() local
1203 qsum*dipole_r2 - qsum*qsum*zprd*zprd/12.0)/volume; in slabcorr()
1214 qsum*x[i][2]*x[i][2]) - qsum*zprd*zprd/12.0); in slabcorr()
1383 double zprd = domain->zprd; in slabcorr_groups() local
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/dports/science/lammps/lammps-stable_29Sep2021/src/MOLFILE/
H A Ddump_molfile.cpp185 cell[2] = domain->zprd; in write()
320 double zprd = domain->zprd; in pack() local
335 buf[m++] = x[i][2] + iz * zprd; in pack()
339 buf[m++] = x[i][2] + iz * zprd; in pack()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/
H A Dfix_tmd.cpp394 double x,y,z,xprd,yprd,zprd; in readfile() local
399 xprd = yprd = zprd = -1.0; in readfile()
445 zprd = hi - lo; in readfile()
449 if (xprd >= 0.0 || yprd >= 0.0 || zprd >= 0.0) in readfile()
454 if (xprd < 0.0 || yprd < 0.0 || zprd < 0.0) in readfile()
478 xf[m][2] = z + iz*zprd; in readfile()

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